SCHEMBL5511491

SCHEMBL5511491

Clc1ccc(OCC2CO2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29417583 0.90 ALDH1A1 (0.65) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL1715947 0.90 ALDH1A1 (0.65) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL19859437 0.90 ALDH1A1 (0.65) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL729501 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL5517102 0.82 ALDH1A1 (0.60) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL19612307 0.82 ALDH1A1 (0.49) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL31120486 0.81 ALDH1A1 (0.47) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL17912832 0.81 ALDH1A1 (0.54) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL19612356 0.80 ALDH1A1 (0.50) ALDH1A1GLATDP1SMN1; SMN2CYP3A4
SCHEMBL1109726 0.80 ALDH1A1 (0.66) ALDH1A1GLATDP1SMN1; SMN2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP claimed
EP-0605937-A1 Antistatic resin composition DAISO CO., LTD. (JP) 1994-07-13 EP claimed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
WO-2001017993-A1 ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 2001-03-15 WO disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP disclosed
US-5556916-A ACRYLONITRILE-BUTADIENE-STYRENE TERPOLYMER WITH POLYOXYETHYLENE GLYCOL POLYMER OR COPOLYMER ON RUBBER SUBSTRATE DAISO CO. LTD. (JP) 1996-09-17 US disclosed
EP-0605937-A1 Antistatic resin composition DAISO CO., LTD. (JP) 1994-07-13 EP disclosed
US-4209447-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-24 US disclosed
US-4139540-A FUNGICIDE, BACTERICIDE INTERMEDIATE JANSSEN PHARMACEUTICA N.V. (BE) 1979-02-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TDP1 4759/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TDP1 4759/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL ALDH1A1 4285/4885GLA 329/4885TDP1 4636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.